ethyl N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate

C14H20FN3O3 — CID 108900177

IUPACethyl N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate
SMILESCCOC(=O)N(CCN)C(=O)NCCc1ccccc1F
InChIInChI=1S/C14H20FN3O3/c1-2-21-14(20)18(10-8-16)13(19)17-9-7-11-5-3-4-6-12(11)15/h3-6H,2,7-10,16H2,1H3,(H,17,19)
InChIKeyLWWDRJJSJDVEGY-UHFFFAOYSA-N
MW297.33 g/mol
LogP1.50
Rot. Bonds6

About ethyl N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate

ethyl N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate (PubChem CID 108900177) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is ethyl N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate
PubChem CID108900177
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Nameethyl N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate
SMILESCCOC(=O)N(CCN)C(=O)NCCc1ccccc1F
InChIInChI=1S/C14H20FN3O3/c1-2-21-14(20)18(10-8-16)13(19)17-9-7-11-5-3-4-6-12(11)15/h3-6H,2,7-10,16H2,1H3,(H,17,19)
InChIKeyLWWDRJJSJDVEGY-UHFFFAOYSA-N
XLogP1.50
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(2-aminoethyl)-N-[3-(1,3-dioxoisoindol-2-yl)propylcarbamoyl]carbamate
CID 108889674
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CID 108899771
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 115603918
ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 43385174
N-(2-aminoethyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide
CID 108899927
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid
CID 63645252
2-ethoxy-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 27847921
3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid
CID 62827671
1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 51324617
1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
CID 86931400
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate?
The IUPAC name of ethyl N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate (CID 108900177) is ethyl N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate.
What is the SMILES notation for ethyl N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate?
The canonical SMILES for ethyl N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate is CCOC(=O)N(CCN)C(=O)NCCc1ccccc1F.
What is the InChIKey of ethyl N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate?
The InChIKey is LWWDRJJSJDVEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-2-21-14(20)18(10-8-16)13(19)17-9-7-11-5-3-4-6-12(11)15/h3-6H,2,7-10,16H2,1H3,(H,17,19).
What are the key properties of ethyl N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate?
ethyl N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate has a molecular weight of 297.33 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate is sourced from PubChem (CID 108900177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).